(2S,4R)-4-hydroxy-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)pyrrolidine-2-carboxylic acid

C9H11N3O5 — CID 28790256

IUPAC(2S,4R)-4-hydroxy-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H](O)CN1C(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C9H11N3O5/c13-4-1-6(8(15)16)12(3-4)7(14)5-2-10-9(17)11-5/h2,4,6,13H,1,3H2,(H,15,16)(H2,10,11,17)/t4-,6+/m1/s1
InChIKeyWSDVYADQHRQMRH-XINAWCOVSA-N
MW241.20 g/mol
LogP-1.64
Rot. Bonds2

About (2S,4R)-4-hydroxy-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)pyrrolidine-2-carboxylic acid

(2S,4R)-4-hydroxy-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 28790256) has the molecular formula C9H11N3O5 and a molecular weight of 241.20 g/mol. Its IUPAC name is (2S,4R)-4-hydroxy-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-hydroxy-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID28790256
Molecular FormulaC9H11N3O5
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC Name(2S,4R)-4-hydroxy-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H](O)CN1C(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C9H11N3O5/c13-4-1-6(8(15)16)12(3-4)7(14)5-2-10-9(17)11-5/h2,4,6,13H,1,3H2,(H,15,16)(H2,10,11,17)/t4-,6+/m1/s1
InChIKeyWSDVYADQHRQMRH-XINAWCOVSA-N
XLogP-1.64
TPSA126.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 5-1.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-hydroxy-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-hydroxy-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)pyrrolidine-2-carboxylic acid (CID 28790256) is (2S,4R)-4-hydroxy-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-hydroxy-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-hydroxy-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1C[C@@H](O)CN1C(=O)c1c[nH]c(=O)[nH]1.
What is the InChIKey of (2S,4R)-4-hydroxy-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is WSDVYADQHRQMRH-XINAWCOVSA-N. The full InChI is InChI=1S/C9H11N3O5/c13-4-1-6(8(15)16)12(3-4)7(14)5-2-10-9(17)11-5/h2,4,6,13H,1,3H2,(H,15,16)(H2,10,11,17)/t4-,6+/m1/s1.
What are the key properties of (2S,4R)-4-hydroxy-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
(2S,4R)-4-hydroxy-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 241.20 g/mol, XLogP of -1.64, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-hydroxy-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 28790256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).